2-Chloro-6-nitrophenol Chemical Properties

Melting point:

67-71 °C

Boiling point:

217.3±20.0 °C(Predicted)

Density 

1.4914 (rough estimate)

refractive index 

1.5810 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

pka

5.43±0.24(Predicted)

form 

Crystalline Powder

color 

Yellow

λmax

405nm(lit.)

InChI

InChI=1S/C6H4ClNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H

InChIKey

ICCYFVWQNFMENX-UHFFFAOYSA-N

SMILES

C1(O)=C([N+]([O-])=O)C=CC=C1Cl

CAS DataBase Reference

603-86-1(CAS DataBase Reference)

EPA Substance Registry System

Phenol, 2-chloro-6-nitro- (603-86-1)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26

RIDADR 

2811

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29089990

MSDS

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2-Chloro-6-nitrophenol Usage And Synthesis

Uses

2-Chloro-6-nitrophenol can be used as a synthetic intermediate in pharmaceuticals and chemicals.

Chemical Properties

yellow crystalline powder

Synthesis

0.5mmol of 2-(2-chloro-6-nitrophenoxy)pyridine and 0.08ml of methyl trifluoromethanesulfonate were dissolved in 20ml of toluene and reacted at 100°C for 2 hours in a three-necked flask under nitrogen protection. The solvent was removed, 10mmol of sodium metal and 20ml of methanol were added, and the reaction was carried out at 80°C for 30min under nitrogen protection. After the reaction was completed by TLC detection, ethyl acetate was extracted, the extract was dried over anhydrous sodium sulfate, and the solvent was removed under reduced pressure. 2-chloro-6-nitrophenol (89% yield) was separated by column chromatography (eluent ratio: petroleum ether to ethyl acetate volume ratio 6:1).

References

[1] Chinese Chemical Letters, 2010, vol. 21, # 4, p. 403 - 406
[2] Synthetic Communications, 2011, vol. 41, # 20, p. 2985 - 2992
[3] Journal of Medicinal Chemistry, 1996, vol. 39, # 18, p. 3435 - 3450
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 15, p. 3521 - 3525
[5] Journal of the Chemical Society, 1927, p. 1692

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